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Information card for entry 2008151
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| Coordinates | 2008151.cif |
|---|---|
| Structure factors | 2008151.hkl |
| Original IUCr paper | HTML |
| Common name | tetrabenzo-24-crown-8 |
|---|---|
| Formula | C32 H32 O8 |
| Calculated formula | C32 H32 O8 |
| SMILES | C1COc2ccccc2OCCOc2ccccc2OCCOc2c(OCCOc3c(O1)cccc3)cccc2 |
| Title of publication | Tetrabenzo-24-crown-8 |
| Authors of publication | Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 250 - 252 |
| a | 9.5974 ± 0.0013 Å |
| b | 18.9323 ± 0.0011 Å |
| c | 7.2881 ± 0.001 Å |
| α | 90° |
| β | 94.229 ± 0.012° |
| γ | 90° |
| Cell volume | 1320.6 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections | 1.02 |
| Goodness-of-fit parameter for significantly intense reflections | 1.04 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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